(2-Benzimidazolyl)acetonitrile
Names
[ CAS No. ]:
4414-88-4
[ Name ]:
(2-Benzimidazolyl)acetonitrile
[Synonym ]:
1H-Benzimidazol-2-ylacetonitrile
EINECS 224-574-9
(1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
2-(1H-benzo[d]imidazol-2-yl)acetonitrile
1H-Benzimidazole-2-acetonitrile
MFCD00005601
2-(Cyanomethyl)benzimidazole
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
439.5±28.0 °C at 760 mmHg
[ Melting Point ]:
200-205 °C (dec.)(lit.)
[ Molecular Formula ]:
C9H7N3
[ Molecular Weight ]:
157.172
[ Flash Point ]:
142.5±9.2 °C
[ Exact Mass ]:
157.063995
[ PSA ]:
52.47000
[ LogP ]:
0.94
[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C
[ Index of Refraction ]:
1.685
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DD5650000
- CHEMICAL NAME :
- 2-Benzimidazoleacetonitrile
- CAS REGISTRY NUMBER :
- 4414-88-4
- BEILSTEIN REFERENCE NO. :
- 0128461
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H7-N3
- MOLECULAR WEIGHT :
- 157.19
- WISWESSER LINE NOTATION :
- T56 BM DNJ C1CN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 343,185,1995
Safety Information
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S26-S37/39-S24/25
[ RIDADR ]:
3276
[ WGK Germany ]:
3
[ RTECS ]:
DD5650000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%